bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)

C41H65N19O3 — CID 161051829

About bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)

bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole) (PubChem CID 161051829) has the molecular formula C41H65N19O3 and a molecular weight of 872.10 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole).

Molecular Properties

• Compound Name: bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)
• PubChem CID: 161051829
• Molecular Formula: C41H65N19O3
• Molecular Weight: 872.10 g/mol
• Exact Mass: 871.55
• IUPAC Name: bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)
• SMILES: Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/4C5H8N2.C5H7NO.2C4H7N3.2C4H6N2O/c2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;2*1-4-5-3-7(2)6-4;2*1-3-5-4(2)7-6-3/h4*3-4H,1-2H3;3*3H,1-2H3;2*1-2H3
• InChIKey: UCFUYZPWGRETHZ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 236.57 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	872.10
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)?

The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole) (CID 161051829) is bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole).

What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)?

The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole) is Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1ncn(C)n1.Cc1ncn(C)n1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)?

The InChIKey is UCFUYZPWGRETHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H8N2.C5H7NO.2C4H7N3.2C4H6N2O/c2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;2*1-4-5-3-7(2)6-4;2*1-3-5-4(2)7-6-3/h4*3-4H,1-2H3;3*3H,1-2H3;2*1-2H3.

What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole)?

bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole) has a molecular weight of 872.10 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(1,3-dimethyl-1,2,4-triazole) is sourced from PubChem (CID 161051829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).